4-oxidanylidene-N-(2-propan-2-ylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-(2-propan-2-ylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-(2-isopropylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: 4-oxo-N-(2-propan-2-ylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: 4-oxo-N-(2-propan-2-ylphenyl)-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-o-cumenyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C19H20N2O2S/c1-12(2)14-5-3-4-6-15(14)21-19(23)13-7-8-17-16(11-13)20-18(22)9-10-24-17/h3-8,11-12H,9-10H2,1-2H3,(H,20,22)(H,21,23)